2,3-dimethylpent-2-ene

• ChemBase ID: 112331
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CCC(=C(C)C)C
• Canonical SMILES: CCC(=C(C)C)C
• InChI: InChI=1S/C7H14/c1-5-7(4)6(2)3/h5H2,1-4H3
• InChIKey: WFHALSLYRWWUGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylpent-2-ene
• IUPAC Traditional name: 2,3-dimethyl-2-pentene
• Synonyms: 2,3-DIMETHYL-2-PENTENE

Database IDs

• CAS Number: 10574-37-5
• PubChem SID: 162096932
• PubChem CID: 25403

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8113701
• LogD (pH = 7.4): 2.8113701
• Log P: 2.8113701
• Molar Refractivity: 34.4878 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -134.8°C
• Boiling Point: 84.26°C
• Density: 0.7051 g/ml

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:10
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05223523

MP Biomedicals Rare Chemical collection